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Compound Detail

CHEMBL397206

CUDRATRICUSXANTHONE M
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C=CC(C)(C)c1c(O)cc(O)c2c(=O)c3c(CCC(C)(C)O)c(O)c(O)cc3oc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL397206
Name CUDRATRICUSXANTHONE M
Phase Preclinical
Structure Type MOL
InChI Key PMIYVWQFMYYOCU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

414.4
MW (Da)
3.94
ALogP
7
HBA
5
HBD
131.4
PSA (Ų)
0.24
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C23H26O7
MW 414.45
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness 2.37

Literature References

PubMed DOI Target Context # Activities
17608532 10.1021/np070059k Amine oxidase [flavin-containing] A 1

Data from ChEMBL 36 via Core Engine